{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1798940000000004 -1.3003934000000001 0.5187180000000001 ] [ -0.6122587000000002 -0.11744920000000003 -0.49558390000000013 ] [ 0.5915797000000002 -1.6234855000000004 1.2157193000000002 ] [ -0.5151593000000001 1.9656555000000004 0.9057504000000002 ] [ 0.6182047000000002 -0.5675172000000002 0.6741464000000001 ] [ -1.0118217000000003 1.0073956000000002 -0.9909679000000002 ] [ 0.4121491000000001 -0.9383943000000002 -1.5176303000000004 ] [ -1.6625879000000003 1.5741885000000004 -0.31015210000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.492575202622196e-09 -2.083459903322623e-09 8.310778523881346e-10 ] [ -9.809465750214012e-10 -1.881743623716634e-10 -7.940129382248854e-10 ] [ 9.47815164679878e-10 -2.601110512307799e-09 1.947797039915342e-09 ] [ -8.253761864476935e-10 3.149327286646935e-09 1.451172115160249e-09 ] [ 9.90473117208678e-10 -9.09262789741878e-10 1.080101601076486e-09 ] [ -1.621117072158112e-09 1.614025678216789e-09 -1.587705601343273e-09 ] [ 6.603356523037615e-10 -1.503473408551982e-09 -2.431511785677691e-09 ] [ -2.663759463404969e-09 2.522128011432222e-09 -4.969184435120238e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.886955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.666894422230167e-18 } }